trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol

C13H18O — CID 175816739

IUPACtrans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
SMILESCC1(C)[C@H](O)C[C@@]1(C)c1ccccc1
InChIInChI=1S/C13H18O/c1-12(2)11(14)9-13(12,3)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-,13+/m1/s1
InChIKeyCMGSLISNTWKDRK-YPMHNXCESA-N
MW190.29 g/mol
LogP2.74
Rot. Bonds1

About trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol

trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol (PubChem CID 175816739) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
PubChem CID175816739
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nametrans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
SMILESCC1(C)[C@H](O)C[C@@]1(C)c1ccccc1
InChIInChI=1S/C13H18O/c1-12(2)11(14)9-13(12,3)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-,13+/m1/s1
InChIKeyCMGSLISNTWKDRK-YPMHNXCESA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(2S)-2-methyl-2-phenyl-3,4-dihydropyran-4-ol
CID 100966337
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
(1R,4R,5S)-4,5-dimethyl-4-phenylbicyclo[3.1.0]hexan-2-one
CID 13026622
4-ethyl-1-phenylbicyclo[2.2.2]octane-2,6,7-triol
CID 141227449
cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one
CID 131179314
2,4-dimethyl-2-phenyl-3,4-dihydropyran
CID 86735403
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol?
The IUPAC name of trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol (CID 175816739) is trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol.
What is the SMILES notation for trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol?
The canonical SMILES for trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol is CC1(C)[C@H](O)C[C@@]1(C)c1ccccc1.
What is the InChIKey of trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol?
The InChIKey is CMGSLISNTWKDRK-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18O/c1-12(2)11(14)9-13(12,3)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol?
trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol is sourced from PubChem (CID 175816739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).